2-(4-chlorophenyl)sulfonyl-1-cyclohexylethanol

C14H19ClO3S — CID 106584920

IUPAC2-(4-chlorophenyl)sulfonyl-1-cyclohexylethanol
SMILESO=S(=O)(CC(O)C1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClO3S/c15-12-6-8-13(9-7-12)19(17,18)10-14(16)11-4-2-1-3-5-11/h6-9,11,14,16H,1-5,10H2
InChIKeyYXUXZWCUYNOINZ-UHFFFAOYSA-N
MW302.82 g/mol
LogP3.05
Rot. Bonds4

About 2-(4-chlorophenyl)sulfonyl-1-cyclohexylethanol

2-(4-chlorophenyl)sulfonyl-1-cyclohexylethanol (PubChem CID 106584920) has the molecular formula C14H19ClO3S and a molecular weight of 302.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-1-cyclohexylethanol.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-1-cyclohexylethanol
PubChem CID106584920
Molecular FormulaC14H19ClO3S
Molecular Weight302.82 g/mol
Exact Mass302.07
IUPAC Name2-(4-chlorophenyl)sulfonyl-1-cyclohexylethanol
SMILESO=S(=O)(CC(O)C1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClO3S/c15-12-6-8-13(9-7-12)19(17,18)10-14(16)11-4-2-1-3-5-11/h6-9,11,14,16H,1-5,10H2
InChIKeyYXUXZWCUYNOINZ-UHFFFAOYSA-N
XLogP3.05
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.82
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)sulfonyl-1-cyclopropylethanol
CID 106585025
(2R)-1-(4-chlorophenyl)sulfonylpropan-2-ol
CID 131862935
2-(4-chlorophenyl)sulfonyl-2-cycloheptylacetic acid
CID 82934246
1-(4-chlorophenyl)sulfonyl-3-methylbutan-2-ol
CID 106584897
2-cycloheptyl-2-hydroxyethanesulfonic acid
CID 115033560
2-(4-chlorophenoxy)-1-cycloheptylethanol
CID 105122069
2-(4-chlorophenyl)sulfonyl-N-[(S)-cyclohexyl(phenyl)methyl]acetamide
CID 39594752
2-cycloheptyl-2-hydroxyethanesulfonyl fluoride
CID 115034579
2-(4-chlorophenyl)-2-cyclohexylethanol
CID 79018633
1-cyclopropyl-2-(3-methylphenyl)sulfonylethanol
CID 106585298
1-cyclopentyl-2-methylsulfonylethanol
CID 115601024
2-cyclopentyl-2-hydroxyethanesulfonamide
CID 115019545

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-1-cyclohexylethanol?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-1-cyclohexylethanol (CID 106584920) is 2-(4-chlorophenyl)sulfonyl-1-cyclohexylethanol.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-1-cyclohexylethanol?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-1-cyclohexylethanol is O=S(=O)(CC(O)C1CCCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-1-cyclohexylethanol?
The InChIKey is YXUXZWCUYNOINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO3S/c15-12-6-8-13(9-7-12)19(17,18)10-14(16)11-4-2-1-3-5-11/h6-9,11,14,16H,1-5,10H2.
What are the key properties of 2-(4-chlorophenyl)sulfonyl-1-cyclohexylethanol?
2-(4-chlorophenyl)sulfonyl-1-cyclohexylethanol has a molecular weight of 302.82 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-1-cyclohexylethanol is sourced from PubChem (CID 106584920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).